4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine

C9H11N5OS3 — CID 115382776

IUPAC4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine
SMILESCCOc1ncnc(Sc2nnc(SC)s2)c1N
InChIInChI=1S/C9H11N5OS3/c1-3-15-6-5(10)7(12-4-11-6)17-9-14-13-8(16-2)18-9/h4H,3,10H2,1-2H3
InChIKeyQYIOGRHKPMBENR-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.18
Rot. Bonds5

About 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine

4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine (PubChem CID 115382776) has the molecular formula C9H11N5OS3 and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine
PubChem CID115382776
Molecular FormulaC9H11N5OS3
Molecular Weight301.42 g/mol
Exact Mass301.01
IUPAC Name4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine
SMILESCCOc1ncnc(Sc2nnc(SC)s2)c1N
InChIInChI=1S/C9H11N5OS3/c1-3-15-6-5(10)7(12-4-11-6)17-9-14-13-8(16-2)18-9/h4H,3,10H2,1-2H3
InChIKeyQYIOGRHKPMBENR-UHFFFAOYSA-N
XLogP2.18
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine?
The IUPAC name of 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine (CID 115382776) is 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine.
What is the SMILES notation for 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine?
The canonical SMILES for 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine is CCOc1ncnc(Sc2nnc(SC)s2)c1N.
What is the InChIKey of 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine?
The InChIKey is QYIOGRHKPMBENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS3/c1-3-15-6-5(10)7(12-4-11-6)17-9-14-13-8(16-2)18-9/h4H,3,10H2,1-2H3.
What are the key properties of 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine?
4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine has a molecular weight of 301.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine is sourced from PubChem (CID 115382776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).